[ { "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" 2.8553245961666107 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.855324596166611e-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" 243.3587114249809 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072520456 "si-unit" "kg / m s^2" "si-value" 243358711424.9809 } "c12" { "source-value" 145.0086026313677 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863619936115 "si-unit" "kg / m s^2" "si-value" 145008602631.3677 } "c44" { "source-value" 116.03686923887767 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813910508 "si-unit" "kg / m s^2" "si-value" 116036869238.8777 } "excess" { "source-value" 6.513308411135686e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 6.513308411135686 } } { "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" 2.8553245961666107 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.855324596166611e-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" 177.79197222923875 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578891637 "si-unit" "kg / m s^2" "si-value" 177791972229.2387 } } ]