[ { "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" [ "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" ] } "a" { "source-value" 8.483595788478851 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.483595788478852e-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" 0.44768100045468473 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724808882 "si-unit" "kg / m s^2" "si-value" 447681000.4546847 } "c12" { "source-value" 0.6007172593133242 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361827281 "si-unit" "kg / m s^2" "si-value" 600717259.3133242 } "c44" { "source-value" -0.17320427415464545 "source-unit" "GPa" "source-std-uncert-value" 0.00183398268120232 "si-unit" "kg / m s^2" "si-value" -173204274.1546454 } "excess" { "source-value" 0.0006163929077801007 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913295 "si-unit" "kg / m s^2" "si-value" 616392.9077801007 } } { "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" [ "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" ] } "a" { "source-value" 8.483595788478851 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.483595788478852e-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" 0.549705173027111 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015787249505 "si-unit" "kg / m s^2" "si-value" 549705173.0271109 } } ]