[ { "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" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" ] } "a" { "source-value" 3.676944908499718 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.676944908499718e-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" -101414459.72480555 "source-unit" "GPa" "source-std-uncert-value" 0.00733609593282499 "si-unit" "kg / m s^2" "si-value" -1.014144597248056e+17 } "c12" { "source-value" 4074.783509675652 "source-unit" "GPa" "source-std-uncert-value" 0.005187286367295242 "si-unit" "kg / m s^2" "si-value" 4074783509675.652 } "c44" { "source-value" -38033362.00298144 "source-unit" "GPa" "source-std-uncert-value" 0.0018340446338914356 "si-unit" "kg / m s^2" "si-value" -3.803336200298144e+16 } "excess" { "source-value" 1805.6853916582534 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431819531965 "si-unit" "kg / m s^2" "si-value" 1805685391658.253 } } { "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" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" ] } "a" { "source-value" 3.676944908499718 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.676944908499718e-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" -33802103.38592873 "source-unit" "GPa" "source-std-uncert-value" 0.004235433376237504 "si-unit" "kg / m s^2" "si-value" -3.380210338592873e+16 } } ]