[ { "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 4.012120544910431 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.012120544910431e-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" -10073354.11422401 "source-unit" "GPa" "source-std-uncert-value" 0.007335947133387249 "si-unit" "kg / m s^2" "si-value" -1.007335411422401e+16 } "c12" { "source-value" 210.24195609110438 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863620687475 "si-unit" "kg / m s^2" "si-value" 210241956091.1044 } "c44" { "source-value" -3777618.9170256997 "source-unit" "GPa" "source-std-uncert-value" 0.0018339888345799962 "si-unit" "kg / m s^2" "si-value" -3777618917025700.0 } "excess" { "source-value" 492945.06176202494 "source-unit" "GPa" "source-std-uncert-value" 0.0025936434648027324 "si-unit" "kg / m s^2" "si-value" 492945061762024.9 } } { "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 4.012120544910431 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.012120544910431e-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" -3357644.543437275 "source-unit" "GPa" "source-std-uncert-value" 0.004235404736691121 "si-unit" "kg / m s^2" "si-value" -3357644543437275.0 } } ]