[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Fe" "Fe" ] } "a" { "source-value" 2.850998893380165 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.850998893380165e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 224.51068946284371 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307251738585 "si-unit" "kg / m s^2" "si-value" 224510689462.8437 } "c12" { "source-value" 137.25031344931145 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361984675 "si-unit" "kg / m s^2" "si-value" 137250313449.3114 } "c44" { "source-value" 125.65212388647895 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681406713 "si-unit" "kg / m s^2" "si-value" 125652123886.4789 } "excess" { "source-value" 0.044683964528512275 "source-unit" "GPa" "source-std-uncert-value" 0.00259364318091332 "si-unit" "kg / m s^2" "si-value" 44683964.52851228 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Fe" "Fe" ] } "a" { "source-value" 2.850998893380165 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.850998893380165e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 166.33710545382218 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578880864 "si-unit" "kg / m s^2" "si-value" 166337105453.8222 } } ]