[ { "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" 4.032082758843899 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.032082758843899e-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" 117.96677448989351 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072500031 "si-unit" "kg / m s^2" "si-value" 117966774489.8935 } "c12" { "source-value" 62.21190996611338 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361898245 "si-unit" "kg / m s^2" "si-value" 62211909966.11338 } "c44" { "source-value" 36.693911082675406 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681261809 "si-unit" "kg / m s^2" "si-value" 36693911082.67541 } "excess" { "source-value" 4.292862361884884e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 4.292862361884884 } } { "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" 4.032082758843899 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.032082758843899e-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" 80.79686480737342 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578800419 "si-unit" "kg / m s^2" "si-value" 80796864807.37343 } } ]