[ { "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" 4.176897808909416 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.176897808909416e-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" 216.8647722343076 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725161404 "si-unit" "kg / m s^2" "si-value" 216864772234.3076 } "c12" { "source-value" 177.44184200674457 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362030968 "si-unit" "kg / m s^2" "si-value" 177441842006.7446 } "c44" { "source-value" 90.2423372792981 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813490341 "si-unit" "kg / m s^2" "si-value" 90242337279.2981 } "excess" { "source-value" 0.017188090358411044 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133044 "si-unit" "kg / m s^2" "si-value" 17188090.35841104 } } { "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" 4.176897808909416 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.176897808909416e-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" 190.58281874926558 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578903666 "si-unit" "kg / m s^2" "si-value" 190582818749.2656 } } ]