[ { "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" 3.608429037034512 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.608429037034512e-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" 207.46609989138963 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725146093 "si-unit" "kg / m s^2" "si-value" 207466099891.3896 } "c12" { "source-value" 149.4832695575447 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361998765 "si-unit" "kg / m s^2" "si-value" 149483269557.5447 } "c44" { "source-value" 82.26691642459998 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681336043 "si-unit" "kg / m s^2" "si-value" 82266916424.59999 } "excess" { "source-value" 0.005951481973910579 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913298 "si-unit" "kg / m s^2" "si-value" 5951481.973910579 } } { "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" 3.608429037034512 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.608429037034512e-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" 168.81087966882632 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157888319 "si-unit" "kg / m s^2" "si-value" 168810879668.8263 } } ]