[ { "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" 6.207935899496079 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.20793589949608e-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" -123511.08081403749 "source-unit" "GPa" "source-std-uncert-value" 0.0073359309260666705 "si-unit" "kg / m s^2" "si-value" -123511080814037.5 } "c12" { "source-value" 43.395936964646694 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361876571 "si-unit" "kg / m s^2" "si-value" 43395936964.64669 } "c44" { "source-value" -92643.748901291 "source-unit" "GPa" "source-std-uncert-value" 0.0018339828321097963 "si-unit" "kg / m s^2" "si-value" -92643748901291.0 } "excess" { "source-value" 0.012697684755501799 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133018 "si-unit" "kg / m s^2" "si-value" 12697684.7555018 } } { "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" 6.207935899496079 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.20793589949608e-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" -41141.42964670273 "source-unit" "GPa" "source-std-uncert-value" 0.00423540161748386 "si-unit" "kg / m s^2" "si-value" -41141429646702.73 } } ]