[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" 5.661174917221077 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.661174917221077e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" -1335260.8846173892 "source-unit" "GPa" "source-std-uncert-value" 0.007335932899957858 "si-unit" "kg / m s^2" "si-value" -1335260884617389.0 } "c12" { "source-value" 103.04031323532944 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361945272 "si-unit" "kg / m s^2" "si-value" 103040313235.3294 } "c44" { "source-value" -500752.13543794624 "source-unit" "GPa" "source-std-uncert-value" 0.0018339834968791142 "si-unit" "kg / m s^2" "si-value" -500752135437946.2 } "excess" { "source-value" 26.194671589380373 "source-unit" "GPa" "source-std-uncert-value" 0.00259364318092838 "si-unit" "kg / m s^2" "si-value" 26194671589.38037 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" 5.661174917221077 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.661174917221077e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" -445018.2679969728 "source-unit" "GPa" "source-std-uncert-value" 0.004235401997396832 "si-unit" "kg / m s^2" "si-value" -445018267996972.8 } } ]