[ { "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" 4.010734975337982 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.010734975337982e-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" 275.53069898828517 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725256966 "si-unit" "kg / m s^2" "si-value" 275530698988.2852 } "c12" { "source-value" 412.21060087131946 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362301378 "si-unit" "kg / m s^2" "si-value" 412210600871.3195 } "c44" { "source-value" 85.5331452345272 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813413634 "si-unit" "kg / m s^2" "si-value" 85533145234.52719 } "excess" { "source-value" 0.06772528832189977 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133334 "si-unit" "kg / m s^2" "si-value" 67725288.32189977 } } { "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" 4.010734975337982 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.010734975337982e-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" 366.65063357697466 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157906925 "si-unit" "kg / m s^2" "si-value" 366650633576.9747 } } ]