[ { "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" [ "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "a" { "source-value" 7.314237862825394 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.314237862825394e-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" 49.322631433915824 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724888494 "si-unit" "kg / m s^2" "si-value" 49322631433.91582 } "c12" { "source-value" 37.32763594711242 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361869583 "si-unit" "kg / m s^2" "si-value" 37327635947.11242 } "c44" { "source-value" 10.624402676668245 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681219344 "si-unit" "kg / m s^2" "si-value" 10624402676.66825 } "excess" { "source-value" 8.752091644009886e-06 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 8752.091644009886 } } { "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" [ "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "a" { "source-value" 7.314237862825394 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.314237862825394e-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" 41.32596777604688 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015787632975 "si-unit" "kg / m s^2" "si-value" 41325967776.04688 } } ]