[ { "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" 3.567322999238968 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.567322999238968e-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" 700.4746990098812 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725949158 "si-unit" "kg / m s^2" "si-value" 700474699009.8812 } "c12" { "source-value" 296.62618481421435 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362168245 "si-unit" "kg / m s^2" "si-value" 296626184814.2144 } "c44" { "source-value" 101.70413937784527 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813677043 "si-unit" "kg / m s^2" "si-value" 101704139377.8453 } "excess" { "source-value" 0.08473042386234862 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913343 "si-unit" "kg / m s^2" "si-value" 84730423.86234862 } } { "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" 3.567322999238968 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.567322999238968e-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" 431.24235621276995 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579129994 "si-unit" "kg / m s^2" "si-value" 431242356212.77 } } ]