[ { "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" 4.119254904985431 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.119254904985431e-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" 175.19727023858968 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725093531 "si-unit" "kg / m s^2" "si-value" 175197270238.5897 } "c12" { "source-value" 113.7920020912981 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361957656 "si-unit" "kg / m s^2" "si-value" 113792002091.2981 } "c44" { "source-value" 77.20446997781181 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813277968 "si-unit" "kg / m s^2" "si-value" 77204469977.81181 } "excess" { "source-value" 0.005090645386712048 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132974 "si-unit" "kg / m s^2" "si-value" 5090645.386712048 } } { "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" 4.119254904985431 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.119254904985431e-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" 134.26042480706195 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578850698 "si-unit" "kg / m s^2" "si-value" 134260424807.062 } } ]