[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "O" ] } "a" { "source-value" 4.45859469473362 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.45859469473362e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] ] } "space-group" { "source-value" "Pm-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" 0.4996119390630595 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307248089655 "si-unit" "kg / m s^2" "si-value" 499611939.0630595 } "c12" { "source-value" -0.04165755372367844 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361826638 "si-unit" "kg / m s^2" "si-value" -41657553.72367844 } "c44" { "source-value" -0.04165741958734214 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681202106 "si-unit" "kg / m s^2" "si-value" -41657419.58734214 } "excess" { "source-value" 4.22116045821116e-11 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 0.0422116045821116 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "O" ] } "a" { "source-value" 4.45859469473362 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.45859469473362e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] ] } "space-group" { "source-value" "Pm-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" 0.13876561053856754 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578724617 "si-unit" "kg / m s^2" "si-value" 138765610.5385675 } } ]