[ { "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" 3.995043106377125 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.995043106377125e-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" 464.34482507498643 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725564525 "si-unit" "kg / m s^2" "si-value" 464344825074.9865 } "c12" { "source-value" 371.87666177382204 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362254921 "si-unit" "kg / m s^2" "si-value" 371876661773.822 } "c44" { "source-value" 241.78602454825315 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826815958842 "si-unit" "kg / m s^2" "si-value" 241786024548.2531 } "excess" { "source-value" 0.04702703619113032 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133213 "si-unit" "kg / m s^2" "si-value" 47027036.19113032 } } { "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" 3.995043106377125 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.995043106377125e-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" 402.6993828742102 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015791031515 "si-unit" "kg / m s^2" "si-value" 402699382874.2102 } } ]