[ { "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" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" ] } "a" { "source-value" 7.764330546557904 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.764330546557904e-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" -289008.0015223752 "source-unit" "GPa" "source-std-uncert-value" 0.007335931195574403 "si-unit" "kg / m s^2" "si-value" -289008001522375.2 } "c12" { "source-value" 4.10766384406715 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636183132 "si-unit" "kg / m s^2" "si-value" 4107663844.06715 } "c44" { "source-value" -108377.41605888451 "source-unit" "GPa" "source-std-uncert-value" 0.001833982857738427 "si-unit" "kg / m s^2" "si-value" -108377416058884.5 } "excess" { "source-value" 0.028869615554637584 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913311 "si-unit" "kg / m s^2" "si-value" 28869615.55463758 } } { "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" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" ] } "a" { "source-value" 7.764330546557904 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.764330546557904e-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" -96333.26206489568 "source-unit" "GPa" "source-std-uncert-value" 0.004235401669326017 "si-unit" "kg / m s^2" "si-value" -96333262064895.69 } } ]