[ { "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" 2.612508244812489 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.612508244812489e-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" 184.0585548975258 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725107965 "si-unit" "kg / m s^2" "si-value" 184058554897.5258 } "c12" { "source-value" 104.3364954819019 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361946765 "si-unit" "kg / m s^2" "si-value" 104336495481.9019 } "c44" { "source-value" 104.32396503662791 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813719717 "si-unit" "kg / m s^2" "si-value" 104323965036.6279 } "excess" { "source-value" 3.996802888651444e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 3.996802888651444 } } { "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" 2.612508244812489 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.612508244812489e-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" 130.91051528710986 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578847548 "si-unit" "kg / m s^2" "si-value" 130910515287.1099 } } ]