[ { "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" [ "In" "In" "In" "In" "In" "In" "In" "In" ] } "a" { "source-value" 6.330762416124344 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.330762416124344e-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" 32.12548905873899 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724860483 "si-unit" "kg / m s^2" "si-value" 32125489058.73899 } "c12" { "source-value" 21.210852344008593 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361851019 "si-unit" "kg / m s^2" "si-value" 21210852344.00859 } "c44" { "source-value" 13.220219665583905 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812235724 "si-unit" "kg / m s^2" "si-value" 13220219665.5839 } "excess" { "source-value" 8.523552234390745e-06 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 8523.552234390745 } } { "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" [ "In" "In" "In" "In" "In" "In" "In" "In" ] } "a" { "source-value" 6.330762416124344 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.330762416124344e-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" 24.84906458225206 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578747802 "si-unit" "kg / m s^2" "si-value" 24849064582.25206 } } ]