[ { "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" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" 7.0948028683662505 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.09480286836625e-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" 20.664291499277287 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307248418125 "si-unit" "kg / m s^2" "si-value" 20664291499.27729 } "c12" { "source-value" 26.068696169136803 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361856615 "si-unit" "kg / m s^2" "si-value" 26068696169.1368 } "c44" { "source-value" -95547.30945663409 "source-unit" "GPa" "source-std-uncert-value" 0.0018339828368394177 "si-unit" "kg / m s^2" "si-value" -95547309456634.1 } "excess" { "source-value" 0.35934315167914926 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809135013 "si-unit" "kg / m s^2" "si-value" 359343151.6791493 } } { "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" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" 7.0948028683662505 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.09480286836625e-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" 24.267227945850298 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578747255 "si-unit" "kg / m s^2" "si-value" 24267227945.8503 } } ]