[ { "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" 4.049985826015473 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.049985826015474e-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" 87.00957734222 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724949883 "si-unit" "kg / m s^2" "si-value" 87009577342.22 } "c12" { "source-value" 54.94018889844935 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636188987 "si-unit" "kg / m s^2" "si-value" 54940188898.44935 } "c44" { "source-value" 35.00109149461337 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812590514 "si-unit" "kg / m s^2" "si-value" 35001091494.61337 } "excess" { "source-value" 7.718566526669021e-06 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 7718.566526669021 } } { "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" 4.049985826015473 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.049985826015474e-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" 65.6299850463729 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578786155 "si-unit" "kg / m s^2" "si-value" 65629985046.37289 } } ]