[ { "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" 2.5809862101450562 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.580986210145056e-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" 8.382999930170507e+21 "source-unit" "GPa" "source-std-uncert-value" 14838457.065132651 "si-unit" "kg / m s^2" "si-value" 8.382999930170507e+30 } "c12" { "source-value" 1.0531473868324453e+22 "source-unit" "GPa" "source-std-uncert-value" 12130245.873553963 "si-unit" "kg / m s^2" "si-value" 1.053147386832445e+31 } "c44" { "source-value" -8.017902588578192e+20 "source-unit" "GPa" "source-std-uncert-value" 1430271.4226696352 "si-unit" "kg / m s^2" "si-value" -8.017902588578193e+29 } "excess" { "source-value" 1.1626412426647382e+22 "source-unit" "GPa" "source-std-uncert-value" 6736356.569570212 "si-unit" "kg / m s^2" "si-value" 1.162641242664738e+31 } } { "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" 2.5809862101450562 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.580986210145056e-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" 9.815315888939804e+21 "source-unit" "GPa" "source-std-uncert-value" 9479517.49759728 "si-unit" "kg / m s^2" "si-value" 9.815315888939804e+30 } } ]