[ { "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" [ "Ga" "Ga" ] } "a" { "source-value" 2.929007798433304 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.929007798433304e-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" 467.0110886315926 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725568868 "si-unit" "kg / m s^2" "si-value" 467011088631.5926 } "c12" { "source-value" 425.0186897330118 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362316129 "si-unit" "kg / m s^2" "si-value" 425018689733.0118 } "c44" { "source-value" 105.64425450593694 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813741221 "si-unit" "kg / m s^2" "si-value" 105644254505.9369 } "excess" { "source-value" 0.02524952461928447 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133087 "si-unit" "kg / m s^2" "si-value" 25249524.61928447 } } { "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" [ "Ga" "Ga" ] } "a" { "source-value" 2.929007798433304 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.929007798433304e-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" 439.01615603253873 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579137304 "si-unit" "kg / m s^2" "si-value" 439016156032.5388 } } ]