[ { "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" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" 5.845712840557098 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.845712840557099e-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" -1794848.340237565 "source-unit" "GPa" "source-std-uncert-value" 0.0073359336485390595 "si-unit" "kg / m s^2" "si-value" -1794848340237565.0 } "c12" { "source-value" 54.85119214329874 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618897674 "si-unit" "kg / m s^2" "si-value" 54851192143.29874 } "c44" { "source-value" -1346153.1866157518 "source-unit" "GPa" "source-std-uncert-value" 0.0018339848739561322 "si-unit" "kg / m s^2" "si-value" -1346153186615752.0 } "excess" { "source-value" 5.8014451493165575 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809166355 "si-unit" "kg / m s^2" "si-value" 5801445149.316558 } } { "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" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" 5.845712840557098 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.845712840557099e-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" -598246.2126177595 "source-unit" "GPa" "source-std-uncert-value" 0.004235402141431173 "si-unit" "kg / m s^2" "si-value" -598246212617759.5 } } ]