[ { "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" [ "S" "S" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" 5.967737130820751 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.967737130820752e-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" -723011.9843175705 "source-unit" "GPa" "source-std-uncert-value" 0.007335931903700056 "si-unit" "kg / m s^2" "si-value" -723011984317570.5 } "c12" { "source-value" 714.9445136072169 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362650069 "si-unit" "kg / m s^2" "si-value" 714944513607.2169 } "c44" { "source-value" -271254.422020007 "source-unit" "GPa" "source-std-uncert-value" 0.0018339831230494074 "si-unit" "kg / m s^2" "si-value" -271254422020007.0 } "excess" { "source-value" 81.47260981011762 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809602148 "si-unit" "kg / m s^2" "si-value" 81472609810.11761 } } { "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" [ "S" "S" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" 5.967737130820751 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.967737130820752e-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" -240527.36509678536 "source-unit" "GPa" "source-std-uncert-value" 0.004235401806050544 "si-unit" "kg / m s^2" "si-value" -240527365096785.4 } } ]