[ { "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" 3.291848033666611 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.291848033666612e-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" 120.00885285289361 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725003635 "si-unit" "kg / m s^2" "si-value" 120008852852.8936 } "c12" { "source-value" 109.23452975281634 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361952406 "si-unit" "kg / m s^2" "si-value" 109234529752.8163 } "c44" { "source-value" 77.3164986358658 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813279793 "si-unit" "kg / m s^2" "si-value" 77316498635.8658 } "excess" { "source-value" 4.588921835118325e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 4.588921835118325 } } { "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" 3.291848033666611 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.291848033666612e-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" 112.82597078617542 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157883054 "si-unit" "kg / m s^2" "si-value" 112825970786.1754 } } ]