[ { "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" [ "Se" "Se" "Se" "Se" ] } "a" { "source-value" 4.783998712897301 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.7839987128973e-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" 466.2371177149025 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725567608 "si-unit" "kg / m s^2" "si-value" 466237117714.9025 } "c12" { "source-value" 427.0588384050863 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362318479 "si-unit" "kg / m s^2" "si-value" 427058838405.0863 } "c44" { "source-value" 105.17469398683981 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813733575 "si-unit" "kg / m s^2" "si-value" 105174693986.8398 } "excess" { "source-value" 2.684086286564616e-05 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 26840.86286564616 } } { "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" [ "Se" "Se" "Se" "Se" ] } "a" { "source-value" 4.783998712897301 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.7839987128973e-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" 440.1182648416917 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579138342 "si-unit" "kg / m s^2" "si-value" 440118264841.6917 } } ]