[ { "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" 3.984640657901764 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.984640657901764e-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" 238.72827167660708 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725197018 "si-unit" "kg / m s^2" "si-value" 238728271676.6071 } "c12" { "source-value" 426.6103645220191 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362317963 "si-unit" "kg / m s^2" "si-value" 426610364522.0191 } "c44" { "source-value" 56.28850149602072 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812937266 "si-unit" "kg / m s^2" "si-value" 56288501496.02072 } "excess" { "source-value" 0.06413390085670292 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133313 "si-unit" "kg / m s^2" "si-value" 64133900.85670292 } } { "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" 3.984640657901764 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.984640657901764e-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" 363.98300024021506 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157906674 "si-unit" "kg / m s^2" "si-value" 363983000240.2151 } } ]