[ { "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" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" ] } "a" { "source-value" 6.592410773038864 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.592410773038864e-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" -204522.75658327222 "source-unit" "GPa" "source-std-uncert-value" 0.007335931057956055 "si-unit" "kg / m s^2" "si-value" -204522756583272.2 } "c12" { "source-value" -4.1432992856277195 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361831362 "si-unit" "kg / m s^2" "si-value" -4143299285.627719 } "c44" { "source-value" -51131.38146704615 "source-unit" "GPa" "source-std-uncert-value" 0.0018339827644901416 "si-unit" "kg / m s^2" "si-value" -51131381467046.15 } "excess" { "source-value" 0.18495646323765105 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913401 "si-unit" "kg / m s^2" "si-value" 184956463.2376511 } } { "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" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" ] } "a" { "source-value" 6.592410773038864 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.592410773038864e-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" -68177.01439394781 "source-unit" "GPa" "source-std-uncert-value" 0.004235401642841375 "si-unit" "kg / m s^2" "si-value" -68177014393947.81 } } ]