[ { "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" 6.5065813064575195 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.506581306457519e-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" 12.985267175305657 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724829304 "si-unit" "kg / m s^2" "si-value" 12985267175.30566 } "c12" { "source-value" 18.055093488589524 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361847384 "si-unit" "kg / m s^2" "si-value" 18055093488.58952 } "c44" { "source-value" -172272.56090783686 "source-unit" "GPa" "source-std-uncert-value" 0.0018339829618174758 "si-unit" "kg / m s^2" "si-value" -172272560907836.8 } "excess" { "source-value" 0.6868831331868437 "source-unit" "GPa" "source-std-uncert-value" 0.00259364318091369 "si-unit" "kg / m s^2" "si-value" 686883133.1868436 } } { "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" 6.5065813064575195 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.506581306457519e-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" 16.365151384161567 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578739822 "si-unit" "kg / m s^2" "si-value" 16365151384.16157 } } ]