[ { "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" 3.615000009536743 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.615000009536743e-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" 168.0627895180124 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725081909 "si-unit" "kg / m s^2" "si-value" 168062789518.0124 } "c12" { "source-value" 123.75481330553724 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636196913 "si-unit" "kg / m s^2" "si-value" 123754813305.5372 } "c44" { "source-value" 79.05227469282833 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813308065 "si-unit" "kg / m s^2" "si-value" 79052274692.82834 } "excess" { "source-value" 0.10144789068062095 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913353 "si-unit" "kg / m s^2" "si-value" 101447890.680621 } } { "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" 3.615000009536743 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.615000009536743e-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" 138.52413870969562 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578854707 "si-unit" "kg / m s^2" "si-value" 138524138709.6956 } } ]