[ { "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" [ "Ti" ] } "a" { "source-value" 2.613700151443481 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.613700151443481e-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" 489.5511806372012 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307256055835 "si-unit" "kg / m s^2" "si-value" 489551180637.2012 } "c12" { "source-value" -30.375273170815888 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361861576 "si-unit" "kg / m s^2" "si-value" -30375273170.81589 } "c44" { "source-value" -47.86888413034151 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812800118 "si-unit" "kg / m s^2" "si-value" -47868884130.34151 } "excess" { "source-value" 5.921189464668806e-10 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 0.5921189464668806 } } { "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" [ "Ti" ] } "a" { "source-value" 2.613700151443481 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.613700151443481e-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" 142.9335447651898 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578896943 "si-unit" "kg / m s^2" "si-value" 142933544765.1898 } } ]