[ { "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" 3.614999935030937 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.614999935030937e-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" 167.26484152588614 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725080609 "si-unit" "kg / m s^2" "si-value" 167264841525.8861 } "c12" { "source-value" 124.15376739130473 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636196959 "si-unit" "kg / m s^2" "si-value" 124153767391.3047 } "c44" { "source-value" 76.64363650629635 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813268832 "si-unit" "kg / m s^2" "si-value" 76643636506.29634 } "excess" { "source-value" 0.09731741087058539 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133503 "si-unit" "kg / m s^2" "si-value" 97317410.87058538 } } { "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" 3.614999935030937 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.614999935030937e-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" 138.52412543616518 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578854707 "si-unit" "kg / m s^2" "si-value" 138524125436.1652 } } ]