[ { "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" 7.115995600819601 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.115995600819602e-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" 907051.890934842 "source-unit" "GPa" "source-std-uncert-value" 0.007335932202308534 "si-unit" "kg / m s^2" "si-value" 907051890934842.0 } "c12" { "source-value" 74.81636592004756 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361919466 "si-unit" "kg / m s^2" "si-value" 74816365920.04756 } "c44" { "source-value" 340140.80115973466 "source-unit" "GPa" "source-std-uncert-value" 0.001833983235258695 "si-unit" "kg / m s^2" "si-value" 340140801159734.7 } "excess" { "source-value" 62694.63705054842 "source-unit" "GPa" "source-std-uncert-value" 0.0025936432170194194 "si-unit" "kg / m s^2" "si-value" 62694637050548.42 } } { "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" 7.115995600819601 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.115995600819602e-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" 302400.50788889406 "source-unit" "GPa" "source-std-uncert-value" 0.004235401863120089 "si-unit" "kg / m s^2" "si-value" 302400507888894.1 } } ]