[ { "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" 5.870681285858155 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.870681285858156e-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" 5.9669110668768015 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724817872 "si-unit" "kg / m s^2" "si-value" 5966911066.876801 } "c12" { "source-value" 7.989251078839948 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618357915 "si-unit" "kg / m s^2" "si-value" 7989251078.839949 } "c44" { "source-value" -2.2903304636658954 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812057687 "si-unit" "kg / m s^2" "si-value" -2290330463.665895 } "excess" { "source-value" 0.007976769469492015 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913299 "si-unit" "kg / m s^2" "si-value" 7976769.469492014 } } { "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" 5.870681285858155 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.870681285858156e-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" 7.3151377415189 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578731313 "si-unit" "kg / m s^2" "si-value" 7315137741.5189 } } ]