[ { "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" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" ] } "a" { "source-value" 7.151389352977276 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.151389352977276e-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" 27.266198974720353 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724852566 "si-unit" "kg / m s^2" "si-value" 27266198974.72035 } "c12" { "source-value" 26.155848867509757 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361856717 "si-unit" "kg / m s^2" "si-value" 26155848867.50976 } "c44" { "source-value" 1.090279196485503 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812038141 "si-unit" "kg / m s^2" "si-value" 1090279196.485503 } "excess" { "source-value" 3.031084642539577e-06 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 3031.084642539577 } } { "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" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" ] } "a" { "source-value" 7.151389352977276 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.151389352977276e-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" 26.525965569913286 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157874938 "si-unit" "kg / m s^2" "si-value" 26525965569.91328 } } ]