[ { "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" 6.369513154029846 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.369513154029846e-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" -407278.6704255682 "source-unit" "GPa" "source-std-uncert-value" 0.007335931388252278 "si-unit" "kg / m s^2" "si-value" -407278670425568.2 } "c12" { "source-value" 20.941947027772173 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361850711 "si-unit" "kg / m s^2" "si-value" 20941947027.77217 } "c44" { "source-value" -305448.9278467106 "source-unit" "GPa" "source-std-uncert-value" 0.0018339831787489694 "si-unit" "kg / m s^2" "si-value" -305448927846710.6 } "excess" { "source-value" 51130.5041666285 "source-unit" "GPa" "source-std-uncert-value" 0.0025936432103595823 "si-unit" "kg / m s^2" "si-value" 51130504166628.5 } } { "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" 6.369513154029846 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.369513154029846e-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" -135745.5955105042 "source-unit" "GPa" "source-std-uncert-value" 0.004235401706417449 "si-unit" "kg / m s^2" "si-value" -135745595510504.2 } } ]