[ { "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" [ "Li" "Li" "Li" "Li" ] } "a" { "source-value" 3.520669050514698 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.520669050514698e-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" 1465.5355442678235 "source-unit" "GPa" "source-std-uncert-value" 0.007335930727195368 "si-unit" "kg / m s^2" "si-value" 1465535544267.823 } "c12" { "source-value" 836.1525340136632 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362789677 "si-unit" "kg / m s^2" "si-value" 836152534013.6632 } "c44" { "source-value" 837.8904354553828 "source-unit" "GPa" "source-std-uncert-value" 0.001833982682566881 "si-unit" "kg / m s^2" "si-value" 837890435455.3828 } "excess" { "source-value" 0.8315360364720857 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913773 "si-unit" "kg / m s^2" "si-value" 831536036.4720857 } } { "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" [ "Li" "Li" "Li" "Li" ] } "a" { "source-value" 3.520669050514698 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.520669050514698e-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" 1045.9468707650499 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579708091 "si-unit" "kg / m s^2" "si-value" 1045946870765.05 } } ]