[ { "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" [ "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" 3.658421412110329 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.658421412110329e-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" 235.53299398676089 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725191813 "si-unit" "kg / m s^2" "si-value" 235532993986.7609 } "c12" { "source-value" 156.2935708919718 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636200661 "si-unit" "kg / m s^2" "si-value" 156293570891.9718 } "c44" { "source-value" 49.44693474097074 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812825825 "si-unit" "kg / m s^2" "si-value" 49446934740.97074 } "excess" { "source-value" 9.630222545337345e-06 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 9630.222545337345 } } { "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" [ "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" 3.658421412110329 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.658421412110329e-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" 182.70671192356815 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578896259 "si-unit" "kg / m s^2" "si-value" 182706711923.5681 } } ]