[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Se" "Se" ] } "a" { "source-value" 3.766310006380081 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.766310006380081e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 338.1506396901532 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307253589665 "si-unit" "kg / m s^2" "si-value" 338150639690.1532 } "c12" { "source-value" 350.7792246433305 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362230621 "si-unit" "kg / m s^2" "si-value" 350779224643.3305 } "c44" { "source-value" 114.71756358123041 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681388902 "si-unit" "kg / m s^2" "si-value" 114717563581.2304 } "excess" { "source-value" 0.02785355627625703 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133105 "si-unit" "kg / m s^2" "si-value" 27853556.27625703 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Se" "Se" ] } "a" { "source-value" 3.766310006380081 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.766310006380081e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 346.5696963256047 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579050364 "si-unit" "kg / m s^2" "si-value" 346569696325.6047 } } ]