[ { "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" [ "Ne" "Ne" "Ne" "Ne" "Ne" "Ne" "Ne" "Ne" ] } "a" { "source-value" 6.828343376517296 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.828343376517296e-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" 0.34478484914979024 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724808714 "si-unit" "kg / m s^2" "si-value" 344784849.1497902 } "c12" { "source-value" 0.4186084025821719 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361827072 "si-unit" "kg / m s^2" "si-value" 418608402.5821719 } "c44" { "source-value" -0.08448084743366985 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812021755 "si-unit" "kg / m s^2" "si-value" -84480847.43366985 } "excess" { "source-value" 0.00029505665402266684 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 295056.6540226669 } } { "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" [ "Ne" "Ne" "Ne" "Ne" "Ne" "Ne" "Ne" "Ne" ] } "a" { "source-value" 6.828343376517296 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.828343376517296e-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" 0.3940005514380447 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578724804 "si-unit" "kg / m s^2" "si-value" 394000551.4380447 } } ]