[ { "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" [ "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" ] } "a" { "source-value" 8.31680479645729 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.316804796457291e-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" -373783.4507189213 "source-unit" "GPa" "source-std-uncert-value" 0.007335931333688999 "si-unit" "kg / m s^2" "si-value" -373783450718921.3 } "c12" { "source-value" 17.698648439298076 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636185077 "si-unit" "kg / m s^2" "si-value" 17698648439.29808 } "c44" { "source-value" -140168.5995990157 "source-unit" "GPa" "source-std-uncert-value" 0.0018339829095232083 "si-unit" "kg / m s^2" "si-value" -140168599599015.7 } "excess" { "source-value" 23297.992302766335 "source-unit" "GPa" "source-std-uncert-value" 0.002593643194330713 "si-unit" "kg / m s^2" "si-value" 23297992302766.34 } } { "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" [ "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" ] } "a" { "source-value" 8.31680479645729 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.316804796457291e-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" -124582.68447401424 "source-unit" "GPa" "source-std-uncert-value" 0.004235401695916772 "si-unit" "kg / m s^2" "si-value" -124582684474014.2 } } ]