[ { "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" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" 4.03203821182251 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.03203821182251e-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" 117.30196960201272 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724999225 "si-unit" "kg / m s^2" "si-value" 117301969602.0127 } "c12" { "source-value" 61.929093252657594 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636189792 "si-unit" "kg / m s^2" "si-value" 61929093252.65759 } "c44" { "source-value" 32.47438123226118 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681254936 "si-unit" "kg / m s^2" "si-value" 32474381232.26118 } "excess" { "source-value" 0.12453497966194406 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913366 "si-unit" "kg / m s^2" "si-value" 124534979.6619441 } } { "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" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" 4.03203821182251 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.03203821182251e-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" 80.38671870244264 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578800033 "si-unit" "kg / m s^2" "si-value" 80386718702.44264 } } ]