[ { "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" 3.262453734874725 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.262453734874725e-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" 121.7596353484664 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725006487 "si-unit" "kg / m s^2" "si-value" 121759635348.4664 } "c12" { "source-value" 123.02417457971974 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636196829 "si-unit" "kg / m s^2" "si-value" 123024174579.7197 } "c44" { "source-value" 97.96395039072935 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813616122 "si-unit" "kg / m s^2" "si-value" 97963950390.72935 } "excess" { "source-value" 0.06440742206238778 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133313 "si-unit" "kg / m s^2" "si-value" 64407422.06238778 } } { "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" 3.262453734874725 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.262453734874725e-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" 122.60266150263529 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578839735 "si-unit" "kg / m s^2" "si-value" 122602661502.6353 } } ]