[ { "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" [ "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" 4.149121467769147 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.149121467769147e-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" 550.3316066035333 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072570459 "si-unit" "kg / m s^2" "si-value" 550331606603.5332 } "c12" { "source-value" 87.65820781125946 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361927554 "si-unit" "kg / m s^2" "si-value" 87658207811.25946 } "c44" { "source-value" 325.1647255902596 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826817317 "si-unit" "kg / m s^2" "si-value" 325164725590.2596 } "excess" { "source-value" 2.803598639023526 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180914909 "si-unit" "kg / m s^2" "si-value" 2803598639.023526 } } { "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" [ "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" 4.149121467769147 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.149121467769147e-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" 241.8826740753507 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015789519105 "si-unit" "kg / m s^2" "si-value" 241882674075.3507 } } ]