[ { "short-name" { "source-value" [ "diamond" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 8.47745281458e-10 "source-value" 8.47745281458 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "c44" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" -183604098.964 "source-std-uncert-value" 0.001833982681202337 "source-value" -0.18360409896384444 } "space-group" { "source-value" "Fd-3m" } "excess" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 650986.64769 "source-std-uncert-value" 0.002593643180913295 "source-value" 0.0006509866476898061 } "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 ] ] } "c12" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 616861985.2190001 "source-std-uncert-value" 0.005187286361827301 "source-value" 0.6168619852190294 } "c11" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 457107814.846 "source-std-uncert-value" 0.007335930724808897 "source-value" 0.45710781484627566 } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0 0 0 0 0 0 ] } "species" { "source-value" [ "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" ] } "instance-id" 1 } { "short-name" { "source-value" [ "diamond" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 8.47745281458e-10 "source-value" 8.47745281458 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "isothermal-bulk-modulus" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 563610595.095 "source-std-uncert-value" 0.0042354015787249635 "source-value" 0.5636105950947781 } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "space-group" { "source-value" "Fd-3m" } "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 ] ] } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0 0 0 0 0 0 ] } "species" { "source-value" [ "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" ] } "instance-id" 2 } ]