[ { "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" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" ] } "a" { "source-value" 7.158411324024201 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.158411324024202e-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" -1343512.8113394792 "source-unit" "GPa" "source-std-uncert-value" 0.007335932913261492 "si-unit" "kg / m s^2" "si-value" -1343512811339479.0 } "c12" { "source-value" 27.347334979079918 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361858088 "si-unit" "kg / m s^2" "si-value" 27347334979.07992 } "c44" { "source-value" -503812.91052508313 "source-unit" "GPa" "source-std-uncert-value" 0.0018339835018648225 "si-unit" "kg / m s^2" "si-value" -503812910525083.1 } "excess" { "source-value" 5.623831553448604 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180916533 "si-unit" "kg / m s^2" "si-value" 5623831553.448605 } } { "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" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" ] } "a" { "source-value" 7.158411324024201 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.158411324024202e-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" -447819.3722231736 "source-unit" "GPa" "source-std-uncert-value" 0.004235401999909662 "si-unit" "kg / m s^2" "si-value" -447819372223173.6 } } ]