[ { "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" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" 4.049999177455902 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.049999177455902e-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" 110.53001400424563 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307249881945 "si-unit" "kg / m s^2" "si-value" 110530014004.2456 } "c12" { "source-value" 60.9043793383432 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361896739 "si-unit" "kg / m s^2" "si-value" 60904379338.3432 } "c44" { "source-value" 28.403778308341625 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681248305 "si-unit" "kg / m s^2" "si-value" 28403778308.34163 } "excess" { "source-value" 1.6283271027839214e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 1.628327102783921 } } { "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" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" 4.049999177455902 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.049999177455902e-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" 77.44625756031067 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578797267 "si-unit" "kg / m s^2" "si-value" 77446257560.31067 } } ]