[ { "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" 5.572661995887756 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.572661995887756e-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" -2602145.9176027854 "source-unit" "GPa" "source-std-uncert-value" 0.007335934963454241 "si-unit" "kg / m s^2" "si-value" -2602145917602786.0 } "c12" { "source-value" 72.83602148079821 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361910482 "si-unit" "kg / m s^2" "si-value" 72836021480.7982 } "c44" { "source-value" -975807.5648284686 "source-unit" "GPa" "source-std-uncert-value" 0.001833984270698727 "si-unit" "kg / m s^2" "si-value" -975807564828468.6 } "excess" { "source-value" 32.83958752872483 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180932207 "si-unit" "kg / m s^2" "si-value" 32839587528.72483 } } { "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" 5.572661995887756 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.572661995887756e-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" -867333.4151866079 "source-unit" "GPa" "source-std-uncert-value" 0.004235402394498076 "si-unit" "kg / m s^2" "si-value" -867333415186607.9 } } ]