[ { "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" 5.430545687675476 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.430545687675476e-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" 155.3447119242777 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725061193 "si-unit" "kg / m s^2" "si-value" 155344711924.2777 } "c12" { "source-value" 80.86640135002084 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863619197304 "si-unit" "kg / m s^2" "si-value" 80866401350.02084 } "c44" { "source-value" 68.97494751476644 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813143915 "si-unit" "kg / m s^2" "si-value" 68974947514.76643 } "excess" { "source-value" 0.01096437104072128 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913301 "si-unit" "kg / m s^2" "si-value" 10964371.04072128 } } { "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" 5.430545687675476 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.430545687675476e-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" 105.69250487477314 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578823831 "si-unit" "kg / m s^2" "si-value" 105692504874.7731 } } ]