[ { "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" 6.3567593693733215 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.356759369373322e-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" 10.45993410479552 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724825191 "si-unit" "kg / m s^2" "si-value" 10459934104.79552 } "c12" { "source-value" 19.389940225290072 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618489225 "si-unit" "kg / m s^2" "si-value" 19389940225.29007 } "c44" { "source-value" -345.48611166292767 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826817648018 "si-unit" "kg / m s^2" "si-value" -345486111662.9277 } "excess" { "source-value" 0.20804867824820486 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913414 "si-unit" "kg / m s^2" "si-value" 208048678.2482049 } } { "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" 6.3567593693733215 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.356759369373322e-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" 16.413271518458554 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578739869 "si-unit" "kg / m s^2" "si-value" 16413271518.45855 } } ]