[ { "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" [ "Ti" "Ti" ] } "a" { "source-value" 3.266136214137077 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.266136214137077e-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" 129.72899822238082 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725019467 "si-unit" "kg / m s^2" "si-value" 129728998222.3808 } "c12" { "source-value" 105.91608659107466 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361948583 "si-unit" "kg / m s^2" "si-value" 105916086591.0747 } "c44" { "source-value" 78.12453200748655 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813292951 "si-unit" "kg / m s^2" "si-value" 78124532007.48656 } "excess" { "source-value" 4.144832625268164e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 4.144832625268164 } } { "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" [ "Ti" "Ti" ] } "a" { "source-value" 3.266136214137077 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.266136214137077e-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" 113.85372380151003 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578831506 "si-unit" "kg / m s^2" "si-value" 113853723801.51 } } ]