[ { "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" 5.68219929933548 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.68219929933548e-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" 54.27474784270944 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307248965595 "si-unit" "kg / m s^2" "si-value" 54274747842.70943 } "c12" { "source-value" 38.09046058360731 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361870463 "si-unit" "kg / m s^2" "si-value" 38090460583.60731 } "c44" { "source-value" 20.091761086716456 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812347655 "si-unit" "kg / m s^2" "si-value" 20091761086.71646 } "excess" { "source-value" 0.009743484315670292 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133 "si-unit" "kg / m s^2" "si-value" 9743484.315670293 } } { "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" 5.68219929933548 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.68219929933548e-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" 43.48522300330802 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578765329 "si-unit" "kg / m s^2" "si-value" 43485223003.30802 } } ]