[ { "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" [ "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "a" { "source-value" 5.75553897023201 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.75553897023201e-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" 6159.813060970082 "source-unit" "GPa" "source-std-uncert-value" 0.007335930734841896 "si-unit" "kg / m s^2" "si-value" 6159813060970.082 } "c12" { "source-value" 3083.606031891593 "source-unit" "GPa" "source-std-uncert-value" 0.005187286365378314 "si-unit" "kg / m s^2" "si-value" 3083606031891.593 } "c44" { "source-value" 2894.3623967591175 "source-unit" "GPa" "source-std-uncert-value" 0.001833982685916676 "si-unit" "kg / m s^2" "si-value" 2894362396759.118 } "excess" { "source-value" 0.13059882168304696 "source-unit" "GPa" "source-std-uncert-value" 0.00259364318091337 "si-unit" "kg / m s^2" "si-value" 130598821.683047 } } { "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" [ "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "a" { "source-value" 5.75553897023201 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.75553897023201e-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" 4109.008374917756 "source-unit" "GPa" "source-std-uncert-value" 0.004235401582588742 "si-unit" "kg / m s^2" "si-value" 4109008374917.756 } } ]