[ { "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" 5.431844830513001 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.431844830513002e-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" 204.36332164964458 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072514104 "si-unit" "kg / m s^2" "si-value" 204363321649.6446 } "c12" { "source-value" 151.73713647227797 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362001361 "si-unit" "kg / m s^2" "si-value" 151737136472.278 } "c44" { "source-value" 45.008956507322246 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812753535 "si-unit" "kg / m s^2" "si-value" 45008956507.32224 } "excess" { "source-value" 0.06199930583744088 "source-unit" "GPa" "source-std-uncert-value" 0.00259364318091333 "si-unit" "kg / m s^2" "si-value" 61999305.83744088 } } { "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" 5.431844830513001 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.431844830513002e-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" 169.2791981980668 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578883631 "si-unit" "kg / m s^2" "si-value" 169279198198.0668 } } ]