[ { "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" 3.56200759857893 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.56200759857893e-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" 154.02046420005965 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725059036 "si-unit" "kg / m s^2" "si-value" 154020464200.0597 } "c12" { "source-value" 121.97068779154408 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361967076 "si-unit" "kg / m s^2" "si-value" 121970687791.5441 } "c44" { "source-value" 77.4350464782233 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813281723 "si-unit" "kg / m s^2" "si-value" 77435046478.2233 } "excess" { "source-value" 0.20152673544756952 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809134106 "si-unit" "kg / m s^2" "si-value" 201526735.4475695 } } { "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" 3.56200759857893 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.56200759857893e-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" 132.6539465943826 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578849187 "si-unit" "kg / m s^2" "si-value" 132653946594.3826 } } ]