[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Mo" "Mo" ] } "a" { "source-value" 3.1599882096052174 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.159988209605218e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 472.82383987134335 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725578337 "si-unit" "kg / m s^2" "si-value" 472823839871.3433 } "c12" { "source-value" 151.93198136627504 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362001585 "si-unit" "kg / m s^2" "si-value" 151931981366.275 } "c44" { "source-value" 106.57905321548809 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813756454 "si-unit" "kg / m s^2" "si-value" 106579053215.4881 } "excess" { "source-value" 2.13162820728077e-08 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 21.3162820728077 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Mo" "Mo" ] } "a" { "source-value" 3.1599882096052174 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.159988209605218e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 258.8959342012978 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015789679116 "si-unit" "kg / m s^2" "si-value" 258895934201.2978 } } ]