[ { "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" 3.658400759100914 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.658400759100914e-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" 231.5064515480276 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725185255 "si-unit" "kg / m s^2" "si-value" 231506451548.0276 } "c12" { "source-value" 158.32447483417585 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362008949 "si-unit" "kg / m s^2" "si-value" 158324474834.1758 } "c44" { "source-value" 49.45628370716454 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812825977 "si-unit" "kg / m s^2" "si-value" 49456283707.16454 } "excess" { "source-value" 3.552713678801283e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 3.552713678801283 } } { "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" 3.658400759100914 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.658400759100914e-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" 182.7184670721264 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157889627 "si-unit" "kg / m s^2" "si-value" 182718467072.1264 } } ]