[ { "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" [ "Ca" ] } "a" { "source-value" 3.644567355513573 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.644567355513573e-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" 49.60858865463325 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072488896 "si-unit" "kg / m s^2" "si-value" 49608588654.63326 } "c12" { "source-value" -6.435464737776539 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361834001 "si-unit" "kg / m s^2" "si-value" -6435464737.776539 } "c44" { "source-value" -6.435323452940856 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812125203 "si-unit" "kg / m s^2" "si-value" -6435323452.940856 } "excess" { "source-value" 7.216449660065107e-10 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 0.7216449660065106 } } { "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" [ "Ca" ] } "a" { "source-value" 3.644567355513573 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.644567355513573e-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" 12.245886393026725 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578744019 "si-unit" "kg / m s^2" "si-value" 12245886393.02672 } } ]