[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "S" "S" ] } "a" { "source-value" 3.683887407183647 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.683887407183647e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 477.4439423822808 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725585863 "si-unit" "kg / m s^2" "si-value" 477443942382.2808 } "c12" { "source-value" 464.3794788156044 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362361466 "si-unit" "kg / m s^2" "si-value" 464379478815.6044 } "c44" { "source-value" 122.44742202237698 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681401493 "si-unit" "kg / m s^2" "si-value" 122447422022.377 } "excess" { "source-value" 0.02744630981747906 "source-unit" "GPa" "source-std-uncert-value" 0.00259364318091331 "si-unit" "kg / m s^2" "si-value" 27446309.81747906 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "S" "S" ] } "a" { "source-value" 3.683887407183647 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.683887407183647e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 468.7343000044965 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579165254 "si-unit" "kg / m s^2" "si-value" 468734300004.4965 } } ]