[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" 4.044527357816695 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.044527357816695e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 118.56459038505095 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725001283 "si-unit" "kg / m s^2" "si-value" 118564590385.0509 } "c12" { "source-value" 60.29473673882916 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361896038 "si-unit" "kg / m s^2" "si-value" 60294736738.82915 } "c44" { "source-value" 34.60160737904805 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812584007 "si-unit" "kg / m s^2" "si-value" 34601607379.04805 } "excess" { "source-value" 0.1418468564829169 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913376 "si-unit" "kg / m s^2" "si-value" 141846856.4829169 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" 4.044527357816695 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.044527357816695e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 79.71802128756975 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578799404 "si-unit" "kg / m s^2" "si-value" 79718021287.56975 } } ]