[ { "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" 3.606302589178085 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.606302589178085e-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" 216.04472486266977 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725160068 "si-unit" "kg / m s^2" "si-value" 216044724862.6698 } "c12" { "source-value" 151.33561357497663 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362000899 "si-unit" "kg / m s^2" "si-value" 151335613574.9766 } "c44" { "source-value" 152.6224282638566 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826814506455 "si-unit" "kg / m s^2" "si-value" 152622428263.8566 } "excess" { "source-value" 0.6414586983066302 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913664 "si-unit" "kg / m s^2" "si-value" 641458698.3066301 } } { "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" 3.606302589178085 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.606302589178085e-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" 172.905317337541 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578887041 "si-unit" "kg / m s^2" "si-value" 172905317337.541 } } ]