[ { "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" 2.882650256156921 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.882650256156921e-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" 183.74093057956762 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725107448 "si-unit" "kg / m s^2" "si-value" 183740930579.5676 } "c12" { "source-value" 162.74147204897608 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362014035 "si-unit" "kg / m s^2" "si-value" 162741472048.9761 } "c44" { "source-value" 163.28566291956454 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826814680149 "si-unit" "kg / m s^2" "si-value" 163285662919.5645 } "excess" { "source-value" 0.27154128234846847 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809134505 "si-unit" "kg / m s^2" "si-value" 271541282.3484685 } } { "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" 2.882650256156921 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.882650256156921e-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" 169.74129155917325 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578884065 "si-unit" "kg / m s^2" "si-value" 169741291559.1732 } } ]