[ { "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" [ "Au" "Au" ] } "a" { "source-value" 3.3047709912061687 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.304770991206169e-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" 138.4192717483588 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307250336235 "si-unit" "kg / m s^2" "si-value" 138419271748.3588 } "c12" { "source-value" 149.23530208757987 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636199848 "si-unit" "kg / m s^2" "si-value" 149235302087.5799 } "c44" { "source-value" 73.50202899445576 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813217658 "si-unit" "kg / m s^2" "si-value" 73502028994.45575 } "excess" { "source-value" 0.024325111628684847 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133083 "si-unit" "kg / m s^2" "si-value" 24325111.62868485 } } { "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" [ "Au" "Au" ] } "a" { "source-value" 3.3047709912061687 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.304770991206169e-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" 145.62995864117283 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578861391 "si-unit" "kg / m s^2" "si-value" 145629958641.1728 } } ]