[ { "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" 3.56700000166893 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.56700000166893e-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" -54935047.445698746 "source-unit" "GPa" "source-std-uncert-value" 0.007336020210165197 "si-unit" "kg / m s^2" "si-value" -5.493504744569874e+16 } "c12" { "source-value" 94099.72678136983 "source-unit" "GPa" "source-std-uncert-value" 0.005187286470211499 "si-unit" "kg / m s^2" "si-value" 94099726781369.83 } "c44" { "source-value" -20665717.287807953 "source-unit" "GPa" "source-std-uncert-value" 0.0018340163436682767 "si-unit" "kg / m s^2" "si-value" -2.066571728780795e+16 } "excess" { "source-value" 1579554.3153084053 "source-unit" "GPa" "source-std-uncert-value" 0.0025936440905873835 "si-unit" "kg / m s^2" "si-value" 1579554315308405.0 } } { "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" 3.56700000166893 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.56700000166893e-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" -18248949.330712 "source-unit" "GPa" "source-std-uncert-value" 0.004235418859256482 "si-unit" "kg / m s^2" "si-value" -1.8248949330712e+16 } } ]