[ { "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" [ "Xe" "Xe" "Xe" "Xe" "Xe" "Xe" "Xe" "Xe" ] } "a" { "source-value" 9.93435802459718 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.93435802459718e-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" 0.542295129755611 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724809035 "si-unit" "kg / m s^2" "si-value" 542295129.7556111 } "c12" { "source-value" 0.7260929444272821 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361827426 "si-unit" "kg / m s^2" "si-value" 726092944.4272821 } "c44" { "source-value" -0.2081469093658894 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812023771 "si-unit" "kg / m s^2" "si-value" -208146909.3658894 } "excess" { "source-value" 0.0007278144779564391 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913295 "si-unit" "kg / m s^2" "si-value" 727814.4779564391 } } { "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" [ "Xe" "Xe" "Xe" "Xe" "Xe" "Xe" "Xe" "Xe" ] } "a" { "source-value" 9.93435802459718 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.93435802459718e-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" 0.6648270062033916 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578725058 "si-unit" "kg / m s^2" "si-value" 664827006.2033917 } } ]