[ { "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 3.567322969436645 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.567322969436645e-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" 700.4743877655177 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725949158 "si-unit" "kg / m s^2" "si-value" 700474387765.5177 } "c12" { "source-value" 296.6262237389296 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362168245 "si-unit" "kg / m s^2" "si-value" 296626223738.9296 } "c44" { "source-value" 101.53468214441462 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813674285 "si-unit" "kg / m s^2" "si-value" 101534682144.4146 } "excess" { "source-value" 3.8487731520347244e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 3.848773152034724 } } { "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 3.567322969436645 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.567322969436645e-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" 431.24227841445895 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579129994 "si-unit" "kg / m s^2" "si-value" 431242278414.4589 } } ]