[ { "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" 3.608116634190083 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.608116634190083e-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" 174.9319602412107 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307250930985 "si-unit" "kg / m s^2" "si-value" 174931960241.2107 } "c12" { "source-value" 108.00622503917158 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361950991 "si-unit" "kg / m s^2" "si-value" 108006225039.1716 } "c44" { "source-value" 99.40519017927998 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813639595 "si-unit" "kg / m s^2" "si-value" 99405190179.27998 } "excess" { "source-value" 0.0521105492090727 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133243 "si-unit" "kg / m s^2" "si-value" 52110549.2090727 } } { "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" 3.608116634190083 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.608116634190083e-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" 130.3148034398513 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578846987 "si-unit" "kg / m s^2" "si-value" 130314803439.8513 } } ]