[ { "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" [ "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" ] } "a" { "source-value" 4.797211587429047 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.797211587429046e-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" -2855563.0966015407 "source-unit" "GPa" "source-std-uncert-value" 0.007335935376246582 "si-unit" "kg / m s^2" "si-value" -2855563096601540.0 } "c12" { "source-value" 89.68423424706471 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361929888 "si-unit" "kg / m s^2" "si-value" 89684234247.06471 } "c44" { "source-value" -1070764.7830842298 "source-unit" "GPa" "source-std-uncert-value" 0.0018339844253749044 "si-unit" "kg / m s^2" "si-value" -1070764783084230.0 } "excess" { "source-value" 138.2170871082915 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809928944 "si-unit" "kg / m s^2" "si-value" 138217087108.2915 } } { "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" [ "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" ] } "a" { "source-value" 4.797211587429047 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.797211587429046e-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" -951794.5760443488 "source-unit" "GPa" "source-std-uncert-value" 0.004235402473950594 "si-unit" "kg / m s^2" "si-value" -951794576044348.8 } } ]