[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Br" "Br" "Br" "Br" ] } "a" { "source-value" 6.625621974468231 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.625621974468231e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 17.746584022356576 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072483706 "si-unit" "kg / m s^2" "si-value" 17746584022.35658 } "c12" { "source-value" 11.531327004046565 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361839871 "si-unit" "kg / m s^2" "si-value" 11531327004.04656 } "c44" { "source-value" 11.531716326491216 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681220822 "si-unit" "kg / m s^2" "si-value" 11531716326.49121 } "excess" { "source-value" 7.401486830836008e-11 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 0.07401486830836007 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Br" "Br" "Br" "Br" ] } "a" { "source-value" 6.625621974468231 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.625621974468231e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 13.603079343483234 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578737225 "si-unit" "kg / m s^2" "si-value" 13603079343.48323 } } ]