[ { "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" [ "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" 4.014007294178013 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.014007294178013e-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" -20.095682013262863 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724840887 "si-unit" "kg / m s^2" "si-value" -20095682013.26286 } "c12" { "source-value" 153.12035966870556 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362002955 "si-unit" "kg / m s^2" "si-value" 153120359668.7056 } "c44" { "source-value" -9.504514114117256 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812175202 "si-unit" "kg / m s^2" "si-value" -9504514114.117256 } "excess" { "source-value" 0.19094894998521228 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913404 "si-unit" "kg / m s^2" "si-value" 190948949.9852123 } } { "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" [ "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" 4.014007294178013 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.014007294178013e-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" 95.38167910804941 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578826734 "si-unit" "kg / m s^2" "si-value" 95381679108.04941 } } ]