[ { "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" [ "Ba" "Ba" ] } "a" { "source-value" 5.079688191413879 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.079688191413879e-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" 10.896478998362873 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724825901 "si-unit" "kg / m s^2" "si-value" 10896478998.36287 } "c12" { "source-value" 8.945147008815443 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361836893 "si-unit" "kg / m s^2" "si-value" 8945147008.815443 } "c44" { "source-value" 8.992432568274182 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681216686 "si-unit" "kg / m s^2" "si-value" 8992432568.274183 } "excess" { "source-value" 0.02361287165797941 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913308 "si-unit" "kg / m s^2" "si-value" 23612871.65797941 } } { "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" [ "Ba" "Ba" ] } "a" { "source-value" 5.079688191413879 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.079688191413879e-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" 9.595591005331253 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578733458 "si-unit" "kg / m s^2" "si-value" 9595591005.331253 } } ]