[ { "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" 4.031999975442886 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.031999975442886e-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" 105.05887170533339 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724979283 "si-unit" "kg / m s^2" "si-value" 105058871705.3334 } "c12" { "source-value" 69.83167927585633 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361907023 "si-unit" "kg / m s^2" "si-value" 69831679275.85634 } "c44" { "source-value" 44.176650991259 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812739976 "si-unit" "kg / m s^2" "si-value" 44176650991.259 } "excess" { "source-value" 0.047634004888655636 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133217 "si-unit" "kg / m s^2" "si-value" 47634004.88865563 } } { "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" 4.031999975442886 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.031999975442886e-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" 81.57407675234867 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578801149 "si-unit" "kg / m s^2" "si-value" 81574076752.34868 } } ]