[ { "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" 4.050199627876282 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.050199627876282e-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" 142.70279397269138 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725040601 "si-unit" "kg / m s^2" "si-value" 142702793972.6914 } "c12" { "source-value" 60.40675047045269 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361896167 "si-unit" "kg / m s^2" "si-value" 60406750470.45269 } "c44" { "source-value" 50.87122207526617 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812849023 "si-unit" "kg / m s^2" "si-value" 50871222075.26617 } "excess" { "source-value" 0.2282117158951309 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913426 "si-unit" "kg / m s^2" "si-value" 228211715.8951309 } } { "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" 4.050199627876282 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.050199627876282e-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" 87.83876497119891 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578807041 "si-unit" "kg / m s^2" "si-value" 87838764971.19891 } } ]