[ { "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" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" ] } "a" { "source-value" 9.784468841552744 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.784468841552744e-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" -212002.5122509052 "source-unit" "GPa" "source-std-uncert-value" 0.007335931070154293 "si-unit" "kg / m s^2" "si-value" -212002512250905.2 } "c12" { "source-value" 11.89856650578102 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361840294 "si-unit" "kg / m s^2" "si-value" 11898566505.78102 } "c44" { "source-value" -79820.08852719596 "source-unit" "GPa" "source-std-uncert-value" 0.0018339828112212866 "si-unit" "kg / m s^2" "si-value" -79820088527195.95 } "excess" { "source-value" 5.690335837435829 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809165717 "si-unit" "kg / m s^2" "si-value" 5690335837.435829 } } { "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" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" ] } "a" { "source-value" 9.784468841552744 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.784468841552744e-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" -70659.57170596454 "source-unit" "GPa" "source-std-uncert-value" 0.00423540164519379 "si-unit" "kg / m s^2" "si-value" -70659571705964.55 } } ]