[ { "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" [ "At" "At" "At" "At" "At" "At" "At" "At" ] } "a" { "source-value" 6.671245813369751 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.671245813369751e-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" -2139316.9105889243 "source-unit" "GPa" "source-std-uncert-value" 0.007335934209684806 "si-unit" "kg / m s^2" "si-value" -2139316910588924.0 } "c12" { "source-value" 101.29448416498222 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361964993 "si-unit" "kg / m s^2" "si-value" 101294484164.9822 } "c44" { "source-value" -802242.8430732046 "source-unit" "GPa" "source-std-uncert-value" 0.0018339839879784854 "si-unit" "kg / m s^2" "si-value" -802242843073204.6 } "excess" { "source-value" 4.341862865909609 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180915795 "si-unit" "kg / m s^2" "si-value" 4341862865.909609 } } { "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" [ "At" "At" "At" "At" "At" "At" "At" "At" ] } "a" { "source-value" 6.671245813369751 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.671245813369751e-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" -713038.1072068647 "source-unit" "GPa" "source-std-uncert-value" 0.004235402249464702 "si-unit" "kg / m s^2" "si-value" -713038107206864.8 } } ]