[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" 6.126967072486877 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.126967072486878e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" 20.337158754680456 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724841279 "si-unit" "kg / m s^2" "si-value" 20337158754.68045 } "c12" { "source-value" 36.15936106775631 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361868237 "si-unit" "kg / m s^2" "si-value" 36159361067.75631 } "c44" { "source-value" -55415.03411117195 "source-unit" "GPa" "source-std-uncert-value" 0.0018339827714677999 "si-unit" "kg / m s^2" "si-value" -55415034111171.95 } "excess" { "source-value" 0.024528672204487813 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133087 "si-unit" "kg / m s^2" "si-value" 24528672.20448781 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" 6.126967072486877 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.126967072486878e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" 30.885293630064357 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578753478 "si-unit" "kg / m s^2" "si-value" 30885293630.06436 } } ]