[ { "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" 5.464352798461917 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.464352798461918e-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" 155.0634932042632 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307250607355 "si-unit" "kg / m s^2" "si-value" 155063493204.2632 } "c12" { "source-value" 57.484002529300795 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361892799 "si-unit" "kg / m s^2" "si-value" 57484002529.3008 } "c44" { "source-value" 69.14261813452528 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813146647 "si-unit" "kg / m s^2" "si-value" 69142618134.52528 } "excess" { "source-value" 0.03912813895113639 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913317 "si-unit" "kg / m s^2" "si-value" 39128138.9511364 } } { "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" 5.464352798461917 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.464352798461918e-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" 90.01049942095494 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578809083 "si-unit" "kg / m s^2" "si-value" 90010499420.95494 } } ]