[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Al" "Al" ] } "a" { "source-value" 3.2355295419693 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.2355295419693e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 20.872458433338043 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724842151 "si-unit" "kg / m s^2" "si-value" 20872458433.33804 } "c12" { "source-value" 68.91569542294086 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361905968 "si-unit" "kg / m s^2" "si-value" 68915695422.94086 } "c44" { "source-value" 38.056095580023786 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812640277 "si-unit" "kg / m s^2" "si-value" 38056095580.02379 } "excess" { "source-value" 0.025695046164866134 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913309 "si-unit" "kg / m s^2" "si-value" 25695046.16486613 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Al" "Al" ] } "a" { "source-value" 3.2355295419693 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.2355295419693e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 52.901283093073246 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578774185 "si-unit" "kg / m s^2" "si-value" 52901283093.07325 } } ]