[ { "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" 6.016909897327424 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.016909897327424e-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" 86.06743380392363 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724948348 "si-unit" "kg / m s^2" "si-value" 86067433803.92363 } "c12" { "source-value" 93.41647634022291 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361934187 "si-unit" "kg / m s^2" "si-value" 93416476340.22292 } "c44" { "source-value" -82038.11213490668 "source-unit" "GPa" "source-std-uncert-value" 0.0018339828148342366 "si-unit" "kg / m s^2" "si-value" -82038112134906.69 } "excess" { "source-value" 20500.59695527362 "source-unit" "GPa" "source-std-uncert-value" 0.00259364319271968 "si-unit" "kg / m s^2" "si-value" 20500596955273.62 } } { "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" 6.016909897327424 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.016909897327424e-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" 90.9667954947898 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578809982 "si-unit" "kg / m s^2" "si-value" 90966795494.78981 } } ]