[ { "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" 3.522514119744301 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.522514119744301e-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" 163.51418091535 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725074501 "si-unit" "kg / m s^2" "si-value" 163514180915.35 } "c12" { "source-value" 135.61569407315852 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361982792 "si-unit" "kg / m s^2" "si-value" 135615694073.1585 } "c44" { "source-value" 55.01712843408086 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812916555 "si-unit" "kg / m s^2" "si-value" 55017128434.08086 } "excess" { "source-value" 5.625129991435365e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 5.625129991435365 } } { "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" 3.522514119744301 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.522514119744301e-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" 144.91518968722235 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578860718 "si-unit" "kg / m s^2" "si-value" 144915189687.2224 } } ]