[ { "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" 4.172638460993767 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.172638460993767e-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" 153.62095824996015 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725058386 "si-unit" "kg / m s^2" "si-value" 153620958249.9601 } "c12" { "source-value" 90.4465244199751 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361930766 "si-unit" "kg / m s^2" "si-value" 90446524419.97511 } "c44" { "source-value" 66.51244745978764 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813103806 "si-unit" "kg / m s^2" "si-value" 66512447459.78764 } "excess" { "source-value" 0.030950256579849334 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913312 "si-unit" "kg / m s^2" "si-value" 30950256.57984933 } } { "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" 4.172638460993767 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.172638460993767e-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" 111.50466902997012 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578829298 "si-unit" "kg / m s^2" "si-value" 111504669029.9701 } } ]