[ { "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" [ "N" "N" "N" "N" "N" "N" "N" "N" ] } "a" { "source-value" 2.9593171998858447 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.959317199885845e-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" 7811.539222264056 "source-unit" "GPa" "source-std-uncert-value" 0.007335930737532399 "si-unit" "kg / m s^2" "si-value" 7811539222264.056 } "c12" { "source-value" 3929.2514356465003 "source-unit" "GPa" "source-std-uncert-value" 0.005187286366352335 "si-unit" "kg / m s^2" "si-value" 3929251435646.5 } "c44" { "source-value" 3727.546206763491 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826872738523 "si-unit" "kg / m s^2" "si-value" 3727546206763.491 } "excess" { "source-value" 0.44178224101197605 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913549 "si-unit" "kg / m s^2" "si-value" 441782241.0119761 } } { "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" [ "N" "N" "N" "N" "N" "N" "N" "N" ] } "a" { "source-value" 2.9593171998858447 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.959317199885845e-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" 5223.347364519019 "source-unit" "GPa" "source-std-uncert-value" 0.004235401583636719 "si-unit" "kg / m s^2" "si-value" 5223347364519.019 } } ]