[ { "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" 3.662545010447502 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.662545010447502e-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" 168.55788281118973 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725082716 "si-unit" "kg / m s^2" "si-value" 168557882811.1897 } "c12" { "source-value" 95.02195083875345 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361936036 "si-unit" "kg / m s^2" "si-value" 95021950838.75345 } "c44" { "source-value" 72.97864861046052 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813209134 "si-unit" "kg / m s^2" "si-value" 72978648610.46053 } "excess" { "source-value" 0.00013155343481233272 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 131553.4348123327 } } { "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" 3.662545010447502 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.662545010447502e-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" 119.53392816289887 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578836848 "si-unit" "kg / m s^2" "si-value" 119533928162.8989 } } ]