[ { "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" 3.6582963466644287 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.658296346664429e-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" 120.05714128925426 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725003713 "si-unit" "kg / m s^2" "si-value" 120057141289.2543 } "c12" { "source-value" 74.29945028293832 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361912168 "si-unit" "kg / m s^2" "si-value" 74299450282.93832 } "c44" { "source-value" 43.800200621567306 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812733843 "si-unit" "kg / m s^2" "si-value" 43800200621.56731 } "excess" { "source-value" 0.17990514011860326 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913398 "si-unit" "kg / m s^2" "si-value" 179905140.1186033 } } { "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" 3.6582963466644287 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.658296346664429e-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" 89.55201395171031 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578808652 "si-unit" "kg / m s^2" "si-value" 89552013951.71031 } } ]